[(2R,3S,5R)-2-(Hydroxymethyl)-5-(7-Hydroxy-1-Oxopyrimido[3,4-a]Benzimidazol-2-Yl)Oxolan-3-Yl] Dihydrogen Phosphate
[CAS# 130882-58-5]

Identification

• Name: [(2R,3S,5R)-2-(Hydroxymethyl)-5-(7-Hydroxy-1-Oxopyrimido[3,4-a]Benzimidazol-2-Yl)Oxolan-3-Yl] Dihydrogen Phosphate
• Synonyms: [(2R,3S,5R)-2-(Hydroxymethyl)-5-(7-Hydroxy-1-Oxo-Pyrimido[3,4-A]Benzimidazol-2-Yl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate; [(2R,3S,5R)-2-(Hydroxymethyl)-5-(7-Hydroxy-1-Oxo-2-Pyrimido[3,4-A]Benzimidazolyl)-3-Tetrahydrofuranyl] Dihydrogen Phosphate; [(2R,3S,5R)-5-(7-Hydroxy-1-Keto-Pyrimido[3,4-A]Benzimidazol-2-Yl)-2-Methylol-Tetrahydrofuran-3-Yl] Dihydrogen Phosphate
• Molecular Formula: C₁₅H₁₆N₃O₈P
• Molecular Weight: 397.28
• CAS Registry Number: 130882-58-5
• SMILES: [C@H]1(O[C@@H]([C@@H](O[P](=O)(O)O)C1)CO)N3C(=O)[N]2C4=C(N=C2C=C3)C=C(O)C=C4
• InChI: 1S/C15H16N3O8P/c19-7-12-11(26-27(22,23)24)6-14(25-12)17-4-3-13-16-9-5-8(20)1-2-10(9)18(13)15(17)21/h1-5,11-12,14,19-20H,6-7H2,(H2,22,23,24)/t11-,12+,14+/m0/s1
• InChIKey: JJJAJFXQFVWTCD-OUCADQQQSA-N

Properties

• Density: 1.954g/cm³ (Cal.)
• Boiling point: 810.854°C at 760 mmHg (Cal.)
• Flash point: 444.188°C (Cal.)